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	hartrees
Energy at 0K	-24.177431
Energy at 298.15K	-24.182915
HF Energy	-24.177431
Nuclear repulsion energy	40.694574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3145	3037	46.74
2	A'	3075	2969	42.19
3	A'	3001	2898	93.78
4	A'	2980	2878	73.97
5	A'	1730	1670	20.10
6	A'	1507	1455	21.94
7	A'	1474	1423	3.64
8	A'	1437	1388	1.01
9	A'	1231	1188	8.17
10	A'	1117	1079	1.19
11	A'	963	930	12.49
12	A'	473	456	5.71
13	A"	3093	2987	37.54
14	A"	1475	1424	5.20
15	A"	1131	1092	0.01
16	A"	1049	1013	34.57
17	A"	688	665	0.81
18	A"	218	210	9.95

Atom	x (Å)	y (Å)	z (Å)
C1	-1.085	-0.421	0.000
N2	0.000	0.566	0.000
C3	1.200	0.114	0.000
H4	-0.742	-1.479	0.000
H5	-1.722	-0.251	0.887
H6	-1.722	-0.251	-0.887
H7	1.455	-0.967	0.000
H8	2.041	0.825	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4670	2.3472	1.1118	1.1054	1.1054	2.5987	3.3651
N2	1.4670		1.2823	2.1750	2.1024	2.1024	2.1142	2.0572
C3	2.3472	1.2823		2.5118	3.0757	3.0757	1.1116	1.1006
H4	1.1118	2.1750	2.5118		1.8042	1.8042	2.2560	3.6122
H5	1.1054	2.1024	3.0757	1.8042		1.7745	3.3760	4.0129
H6	1.1054	2.1024	3.0757	1.8042	1.7745		3.3760	4.0129
H7	2.5987	2.1142	1.1116	2.2560	3.3760	3.3760		1.8852
H8	3.3651	2.0572	1.1006	3.6122	4.0129	4.0129	1.8852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	117.087	N2	C1	H4	114.307
N2	C1	H5	108.823	N2	C1	H6	108.823
N2	C3	H7	123.904	N2	C3	H8	119.193
H4	C1	H5	108.924	H4	C1	H6	108.924
H5	C1	H6	106.774	H7	C3	H8	116.903

All results from a given calculation for CH₂NCH₃ (N-methylmethanimine)

using model chemistry: B3LYP/CEP-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.513
2	N	0.182
3	C	-0.598
4	H	0.151
5	H	0.189
6	H	0.189
7	H	0.172
8	H	0.228

	x	y	z	Total
	0.357	-1.733	0.000	1.770
CHELPG
AIM
ESP

	x	y	z
x	5.971	0.028	0.000
y	0.028	3.653	0.000
z	0.000	0.000	2.846

<r²>	42.773
(<r²>)^1/2	6.540

All results from a given calculation for CH2NCH3 (N-methylmethanimine)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for CH₂NCH₃ (N-methylmethanimine)